SCHEMBL388758

SCHEMBL388758

COc1ccc2c(c1)C(C)(C)CC2=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 5/20 0.53
METAP1 P53582 2/20 0.46
KDM4E B2RXH2 4/20 0.46
ALDH1A1 P00352 3/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA4 P22748 1/20 0.45
CA7 P43166 1/20 0.45
CA9 Q16790 1/20 0.45
PRNP P04156 1/20 0.45
HTT P42858 2/20 0.44
PDE3B Q13370 1/20 0.44
PDE3A Q14432 1/20 0.44
KLK7 P49862 1/20 0.43
LMNA P02545 1/20 0.42
CRHBP P24387 1/20 0.42
CRHR2 Q13324 1/20 0.42
TDP2 O95551 1/20 0.42
ACHE P22303 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4420638 0.89 PGR (0.64) PGRKDM4EALDH1A1SMN1; SMN2TDP2
SCHEMBL8597253 0.86 PDE3B (0.47) PGRMETAP1KDM4EALDH1A1SMN1; SMN2
SCHEMBL16253974 0.84 METAP1 (0.47) METAP1KDM4EALDH1A1SMN1; SMN2CA1
SCHEMBL4420977 0.84 PGR (0.68) PGR
SCHEMBL1808153 0.83 KDM4E (0.49) METAP1KDM4EALDH1A1SMN1; SMN2CA1
SCHEMBL17016643 0.78 MEN1 (0.42) PGRMETAP1KDM4EALDH1A1SMN1; SMN2
SCHEMBL1091438 0.77 PGR (0.45) PGRKDM4EALDH1A1SMN1; SMN2CA1
SCHEMBL3368868 0.77 PGR (0.69) PGRMETAP1KDM4EALDH1A1CA1
SCHEMBL2062512 0.76 PDE3B (0.44) METAP1KDM4EALDH1A1SMN1; SMN2CA1
SCHEMBL5738533 0.76 MAPKAPK2 (0.52) METAP1KDM4EALDH1A1CA1CA2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 52 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110352188-B Fluoroallylamine derivatives and use thereof 四川科伦博泰生物医药股份有限公司 2022-11-29 CN disclosed
US-20200087248-A1 Fluoroallylamine Derivative And Use Thereof SICHUAN KELUN-BIOTECH BIOPHARMACEUTICAL CO., LTD. (CN) 2020-03-19 US disclosed
EP-3617186-A1 FLUOROALLYLAMINE DERIVATIVE AND USE THEREOF Sichuan Kelun-Biotech Biopharmaceutical Co., Ltd. (CN) 2020-03-04 EP disclosed
US-8153671-B2 Heterotetracyclic compounds as TPO mimetics IRM LLC (BM) 2012-04-10 US disclosed
US-8153671-B2 Heterotetracyclic compounds as TPO mimetics IRM LLC (BM) 2012-04-10 US disclosed
US-8153671-B2 Heterotetracyclic compounds as TPO mimetics IRM LLC (BM) 2012-04-10 US disclosed
US-8101638-B2 6-substituted nicotinamide derivatives as opioid receptor antagonists ELI LILLY AND COMPANY (US) 2012-01-24 US disclosed
EP-1910338-B1 HETEROTETRACYCLIC COMPOUNDS AS TPO MIMETICS IRM LLC (BM) 2010-08-25 EP disclosed
EP-1910338-B1 HETEROTETRACYCLIC COMPOUNDS AS TPO MIMETICS IRM LLC (BM) 2010-08-25 EP disclosed
US-20090075996-A1 HETEROTETRACYCLIC COMPOUNDS AS TPO MIMETICS IRM LLC (BM) 2009-03-19 US disclosed
US-6369261-B1 CYCLOPROPYLBENZENE DERIVATIVE OF ACIDS OR ESTERS ALLERGAN SALES, INC. 2002-04-09 US disclosed
US-6369225-B1 ENZYME INHIBITORS ALLERGAN SALES, INC. 2002-04-09 US disclosed
WO-2002026727-A2 METHODS OF PROVIDING AND USING COMPOUNDS (RETINOIDS) HAVING ACTIVITY AS INHIBITORS OF CYTOCHROME P450RAI ALLERGAN, INC. (US) 2002-04-04 WO disclosed
US-6359135-B1 Compounds having activity as inhibitors of cytochrome P450RAI ALLERGAN SALES, INC. 2002-03-19 US disclosed
WO-2002018361-A2 COMPOUNDS HAVING ACTIVITY AS INHIBITORS OF CYTOCHROME P450RAI ALLERGAN, INC. (US) 2002-03-07 WO disclosed
US-6313107-B1 ADMINISTERING TO MAMMAL TO TREAT DISEASES RESPONSIVE TO TREATMENT BY RETINOIDS ALLERGAN SALES, INC. 2001-11-06 US disclosed
US-6303785-B1 SUBSTITUTED N-CYCLOPROPYLTETRAHYDROISOQUINOLINES ALLERGAN SALES, INC. 2001-10-16 US disclosed
WO-2001072713-A1 NON-STEROIDAL, TETRACYCLIC COMPOUNDS FOR ESTROGEN-RELATED TREATMENTS AKZO NOBEL N.V. (NL) 2001-10-04 WO disclosed
US-6291677-B1 FOR TREATING SKIN-RELATED DISEASES, INCLUDING, ACTINIC KERATOSES, ARSENIC KERATOSES, INFLAMMATORY AND NON-INFLAMMATORY ACNE, PSORIASIS, ICHTHYOSES AND KERATINIZATION AND HYPERPROLIFERATIVE DISORDERS OF SKIN ALLERGAN SALES, INC. 2001-09-18 US disclosed
US-6252090-B1 Compounds having activity as inhibitors of cytochrome P450RAI ALLERGAN SALES, INC. 2001-06-26 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090075996-A1 HETEROTETRACYCLIC COMPOUNDS AS TPO MIMETICS MPL, TPO, THPO PGR 1721/4885METAP1 1690/4885KDM4E 4685/4885
US-20200087248-A1 Fluoroallylamine Derivative And Use Thereof VAPB, VAPA, SLC28A1 PGR 4581/4885METAP1 151/4885KDM4E 4034/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.